3-[4-(3-methylbutoxy)phenyl]-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one

Systemtic Name: 3-[4-(3-methylbutoxy)phenyl]-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one Openeye Name: 3-(4-isopentyloxyphenyl)-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one CAS Name: 3-[4-(3-methylbutoxy)phenyl]-1-(4-methyl-3-nitrophenyl)-2-propen-1-one IUPAC Name: 3-[4-(3-methylbutoxy)phenyl]-1-(4-methyl-3-nitrophenyl)prop-2-en-1-one Traditional Name: 3-(4-isoamoxyphenyl)-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one Formula: C21H23NO4 MolecularWeight: 353.41162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23NO4/c1-15(2)12-13-26-19-9-5-17(6-10-19)7-11-21(23)18-8-4-16(3)20(14-18)22(24)25/h4-11,14-15H,12-13H2,1-3H3